(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid

C12H17N3O3 — CID 69303223

IUPAC(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(12(17)18)4-5-11(16)15-8-6-9-3-1-2-7-14-9/h1-3,7,10H,4-6,8,13H2,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyAJGOCPBJAHKFDK-JTQLQIEISA-N
MW251.29 g/mol
LogP-0.07
Rot. Bonds7

About (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid

(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid (PubChem CID 69303223) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
PubChem CID69303223
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
SMILESN[C@@H](CCC(=O)NCCc1ccccn1)C(=O)O
InChIInChI=1S/C12H17N3O3/c13-10(12(17)18)4-5-11(16)15-8-6-9-3-1-2-7-14-9/h1-3,7,10H,4-6,8,13H2,(H,15,16)(H,17,18)/t10-/m0/s1
InChIKeyAJGOCPBJAHKFDK-JTQLQIEISA-N
XLogP-0.07
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(2-pyridin-2-ylethyl)hexanamide
CID 82848295
(2S)-2-amino-5-oxo-6-pyridin-2-ylhexanoic acid
CID 161352195
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
N-(4-hydroxypentyl)-3-pyridin-2-ylpropanamide
CID 107300042
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
CID 131857193
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid (CID 69303223) is (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid is N[C@@H](CCC(=O)NCCc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid?
The InChIKey is AJGOCPBJAHKFDK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O3/c13-10(12(17)18)4-5-11(16)15-8-6-9-3-1-2-7-14-9/h1-3,7,10H,4-6,8,13H2,(H,15,16)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid?
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid has a molecular weight of 251.29 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid is sourced from PubChem (CID 69303223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).